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1000017 97 9 | Cheminformatics

Chemical : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate

Casrn : 1000017-97-9

MolName : Ethyl 5-aminoimidazo[1,2-a]pyridine-2-carboxylate

MolecularFormula : C10H11N3O2

Smiles : CCOC(c1cn2c(N)cccc2n1)=O

InChI : InChI=1S/C10H11N3O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2,11H2,1H3

InChIK : SDHJUHBOHSJBEH-UHFFFAOYSA-N

CanonicalSyTyLFy : 1c4ec94aeeb63f83

TotalMolweight : 205.216

Molweight : 205.216

MonoisotopicMass : 205.085127

CLogP : 0.6495

CLogS : -3.963

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 159.56

Relative PSA : 0.35867

PolarSurfaceArea : 69.62

Druglikeness : -1.3937

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.6

Molecula Flexibility : 0.24979

Molecular Complexity : 0.75973

Fragments : 1

Non HAtoms : 15

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 9

Sp3Atoms : 3

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
1000339-29-6nonenonenoneC14H15N2OBr307.19-5.8756
1000-22-2lowhighlowC6H14O2FPS200.213-11.052
10002-30-9nonenonenoneC12H9NOS215.2750.083087
100-44-7highhighnoneC7H7Cl126.586-2.365
1000-56-2nonenonenoneC3H7O4S.Na139.151-6.9141
1000284-53-6nonenonehighC18H36O2284.482-15.583
100012-67-7highhighhighC12H12O5236.222-19.846
100005-44-5highnonelowC7H5O2ClS188.634-11.771
1000120-98-8highnonehighC230H305N67O122P19S197158.06-20.81
1000160-75-7nonenonelowC14H17O2BS260.164-20.35
100-93-6highhighhighC19H18N2O2S338.43-12.848
100031-92-3nonenonehighC10H30OSi4278.691-53.619
1000-86-8nonenonenoneC7H1296.1723-10.397
1000-23-3highhighlowC4H6O4Cl2Sn307.704-8.6766
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124
100-74-3highnonehighC6H13NO115.1753.7593
1000068-25-6nonenonenoneC13H15NO4BF279.074-46.077
100013-07-8nonenonenoneC18H32B.Li259.263-11.013
100-92-5nonenonenoneC11H17N163.2631.1672
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-64-1highhighnoneC6H11NO113.159-6.4182
100028-43-1nonenonenoneBr.C21H35N2315.523-2.5218
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529
1000-05-1nonenonehighC8H26O3Si4282.635-83.299
100031-88-7nonenonehighC10H30O3Si4310.689-53.619
100-83-4highnonelowC7H6O2122.123-4.1407
1000304-40-4nonenonenoneC11H17NO179.2622.2651
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
10003-94-8nonenonenoneC9H16N2O18P4564.118-31.509
100007-57-6nonenonenoneC72H113N19O24S61821.19-13.821
100016-73-7highhighhighC6H5OCl.C10H16O.CH2O152.236-3.7075
10001-51-1nonenonenoneC9H18N2O170.2555.9677
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100002-29-7nonenonenoneC12H18N2O3238.2862.8956
100-91-4nonenonehighC17H25NO3291.393.3475
100-48-1nonenonenoneC6H4N2104.112-6.0498
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689
1000018-51-8nonenonenoneC10H10N2O2S2254.3331.3137
100-12-9nonenonenoneC8H9NO2151.164-7.7443
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-54-9nonenonenoneC6H4N2104.112-6.0498
017257-81-7nonenonenoneC6H10O2114.1430.9106
100-21-0highnonehighC8H6O4166.132-1.8442
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000339-55-8nonenonenoneC9H7O2F3204.147-12.197
1000339-34-3nonenonenoneC11H12N3OBr282.14-5.9074
1000269-67-9nonenonenoneC13H22N4234.3460.99367
1000269-51-1nonenonenoneC13H12NO4B257.052-12.285
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
100-05-0nonenonenoneCl.C6H4N3O2150.117-9.1371
100-63-0highhighnoneC6H8N2108.144-4.3224
100020-34-6nonenonenoneC13H18S2238.418-0.23079
100-46-9nonenonenoneC7H9N107.155-2.0712
100010-21-7nonenonenoneC14H21NO219.327-4.2999
100008-90-0nonenonenoneC12H11N3O3245.237-1.9187
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083
100-90-3nonenonenoneC14H16N4O3S320.3724.7301
100-19-6nonenonenoneC8H7NO3165.148-7.0365
100005-12-7nonenonelowC11H10NCl191.662.2675